Table 2.
Chemical data used for input into the noncancer MCDA.
|
|
Toxicity
|
Occurrence (% of FracFocus 1.0 Disclosures) |
Physicochemical Properties
|
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CASRN | Chemical Name | RfV (mg/kg-day) | Source of RfV | National | TX | PA | ND | Log KOW | Log KOC | Aqueous solubility (mg/l) | Henry's law constant | Half-life in water (days) |
| 123-73-9 | (E)-Crotonaldehyde | 0.001 | PPRTV (RfD) | 0.06% | 0.6 | 0.254 | 41,480 | 1.94E-05 | 15 | |||
| 107-19-7 | Propargyl alcohol | 0.002 | IRIS (RfD) | 33% | 39% | 58% | 1% | −0.38 | 0.28 | 935,500 | 1.15E-06 | 15 |
| 100-44-7 | Benzyl chloride | 0.002 | PPRTV (RfD) | 6% | 7% | 5% | 0.8% | 2.3 | 2.649 | 1030 | 4.12E-04 | 15 |
| 79-06-1 | Acrylamide | 0.002 | IRIS (RfD) | 1% | 2% | 1% | 1% | −0.67 | 0.755 | 504.000 | 1.70E-09 | 15 |
| 71-43-2 | Benzene | 0.004 | IRIS (RfD) | 0.006% | 0.01% | 2.13 | 1.75 | 2000 | 5.55E-03 | 37.5 | ||
| 75-09-2 | Dichloromethane | 0.006 | IRIS (RfD) | 0.02% | 1.25 | 1.44 | 10,950 | 3.25E-03 | 37.5 | |||
| 106-89-8 | Epichlorohydrin | 0.006 | PPRTV (RfD) | 1% | 0.2% | 0.08% | 0.45 | 1 | 50,630 | 3.04E-05 | 15 | |
| 62-53-3 | Aniline | 0.007 | PPRTV (RfD) | 0.02% | 0.05% | 0.9 | 1.6 | 20,820 | 2.02E-06 | 15 | ||
| 21564-17-0 | 2-(Thiocyanomethylthio)benzothiazole | 0.01 | HHBP (RfD) | 0.006% | 3.3 | 3.528 | 41.67 | 6.49E-12 | 37.5 | |||
| 98-01-1 | Furfural | 0.01 | HHBP (RfD) | 0.003% | 0.41 | 0.784 | 53,580 | 3.77E-06 | 15 | |||
| 91-20-3 | Naphthalene | 0.02 | IRIS (RfD) | 19% | 14% | 1% | 43% | 3.3 | 2.96 | 142.1 | 4.40E-04 | 37.5 |
| 542-75-6 | 1,3-Dichloropropene | 0.03 | IRIS (RfD) | 0.02% | 2.04 | 1.82 | 1994 | 3.55E-03 | 37.5 | |||
| 123-91-1 | 1,4-Dioxane | 0.03 | IRIS (RfD) | 0.3% | 0.5% | 0.8% | −0.27 | 0.421 | 213,900 | 4.8E-06 | 15 | |
| 112-34-5 | 2-(2-Butoxyethoxy)ethanol | 0.03 | PPRTV (RfD) | 0.6% | 0.4% | 4% | 0.56 | 1 | 71,920 | 7.20E-09 | 8.67 | |
| 80-05-7 | Bisphenol A | 0.05 | IRIS (RfD) | 0.006% | 0.01% | 3.32 | 4.576 | 172.7 | 9.16E-12 | 37.5 | ||
| 108-88-3 | Toluene | 0.08 | IRIS (RfD) | 0.7% | 1% | 2.73 | 2.07 | 573.1 | 6.64E-03 | 15 | ||
| 107-15-3 | Ethylenediamine | 0.09 | PPRTV (RfD) | 0.01% | 0.02% | −2.04 | 1.172 | 1,000,000 | 1.73E-09 | 15 | ||
| 111-76-2 | 2-Butoxyethanol | 0.1 | IRIS (RfD) | 23% | 27% | 21% | 15% | 0.83 | 0.451 | 64,470 | 1.60E-06 | 8.67 |
| 68-12-2 | N,N-Dimethylformamide | 0.1 | PPRTV (RfD) | 9% | 10% | 11% | 0.6% | −1.01 | 0 | 977,900 | 7.39E-08 | 15 |
| 7173-51-5 | Didecyldimethylammonium chloride | 0.1 | HHBP (RfD) | 8% | 7% | 12% | 0.05% | 4.66 | 5.546 | 0.9 | 6.85E-10 | 15 |
| 71-36-3 | 1-Butanol | 0.1 | IRIS (RfD) | 1% | 3% | 0.7% | 0.88 | 0.5 | 76,700 | 8.81E-06 | 8.67 | |
| 98-82-8 | Cumene | 0.1 | IRIS (RfD) | 0.5% | 0.8% | 1% | 3.66 | 2.844 | 75.03 | 1.15E-02 | 15 | |
| 100-41-4 | Ethylbenzene | 0.1 | IRIS (RfD) | 0.4% | 0.5% | 0.1% | 3.15 | 2.23 | 228.6 | 7.88E-03 | 15 | |
| 98-86-2 | Acetophenone | 0.1 | IRIS (RfD) | 0.04% | 0.04% | 1.58 | 1.8 | 4484 | 1.04E-05 | 15 | ||
| 50-00-0 | Formaldehyde | 0.2 | IRIS (RfD) | 7% | 8% | 4% | 8% | 0.35 | 0 | 57,020 | 3.37E-07 | 15 |
| 1330-20-7 | Xylenes | 0.2 | IRIS (RfD) | 2% | 3% | 1% | 0.2% | 3.2 | 2.25 | 207.2 | 7.18E-03 | 15 |
| 78-83-1 | 2-Methyl-l-propanol | 0.3 | IRIS (RfD) | 0.3% | 4% | 0.76 | 0.465 | 97,120 | 9.78E-06 | 15 | ||
| 108-95-2 | Phenol | 0.3 | IRIS (RfD) | 0.4% | 0.8% | 0.05% | 1.46 | 1.9 | 26,160 | 3.33E-07 | 15 | |
| 27176-87-0 | Dodecylbenzenesulfonic acid | 0.5 | HHBP (RfD) | 7% | 10% | 2% | 8% | 4.71 | 4.066 | 0.8126 | 6.27E-08 | 15 |
| 64-18-6 | Formic acid | 0.9 | PPRTV (RfD) | 11% | 14% | 8% | 11% | −0.54 | 0 | 955,200 | 1.67E-07 | 8.67 |
| 141-78-6 | Ethyl acetate | 0.9 | IRIS (RfD) | 0.4% | 0.7% | 0.73 | 0.747 | 29,930 | 1.34E-04 | 15 | ||
| 67-64-1 | Acetone | 0.9 | IRIS (RfD) | 0.2% | 0.02% | 1% | −0.24 | 0.374 | 219,900 | 3.50E-05 | 15 | |
| 67-56-1 | Methanol | 2 | IRIS (RfD) | 73% | 80% | 69% | 54% | −0.77 | 0.44 | 1,000,000 | 4.55E-06 | 8.67 |
| 107-21-1 | Ethylene glycol | 2 | IRIS (RfD) | 47% | 60% | 35% | 37% | −1.36 | 0 | 1,000,000 | 6.00E-08 | 8.67 |
| 124-04-9 | Hexanedioic acid | 2 | PPRTV (RfD) | 0.7% | 1% | 0.08 | 1.386 | 167,300 | 4.71E-12 | 8.67 | ||
| 65-85-0 | Benzoic acid | 4 | IRIS (RfD) | 0.06% | 0.1% | 0.04% | 1.87 | 1.5 | 2493 | 3.81E-08 | 15 | |
| 57-55-6 | 1,2-Propylene glycol | 20 | PPRTV (RfD) | 4% | 4% | 8% | 8% | −0.92 | 0.36 | 811,100 | 1.29E-08 | 8.67 |